1-[(5-chloranylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-N-[4-(1-pyrazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-N-(4-pyrazol-1-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C20H22ClN4OS+ MolecularWeight: 401.93288

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C20H21ClN4OS/c21-19-7-6-18(27-19)14-24-12-8-15(9-13-24)20(26)23-16-2-4-17(5-3-16)25-11-1-10-22-25/h1-7,10-11,15H,8-9,12-14H2,(H,23,26)/p+1